1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide

C25H27ClN4O6S2 — CID 10257612

IUPAC1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C25H27ClN4O6S2/c26-19-10-11-22-18(15-19)16-24(30(22)38(35,36)20-7-2-1-3-8-20)37(33,34)27-21-9-6-14-29(25(21)32)17-23(31)28-12-4-5-13-28/h1-3,7-8,10-11,15-16,21,27H,4-6,9,12-14,17H2/t21-/m0/s1
InChIKeyRECRZFXYGWTKDF-NRFANRHFSA-N
MW579.10 g/mol
LogP2.42
Rot. Bonds7

About 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide

1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide (PubChem CID 10257612) has the molecular formula C25H27ClN4O6S2 and a molecular weight of 579.10 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide
PubChem CID10257612
Molecular FormulaC25H27ClN4O6S2
Molecular Weight579.10 g/mol
Exact Mass578.11
IUPAC Name1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C25H27ClN4O6S2/c26-19-10-11-22-18(15-19)16-24(30(22)38(35,36)20-7-2-1-3-8-20)37(33,34)27-21-9-6-14-29(25(21)32)17-23(31)28-12-4-5-13-28/h1-3,7-8,10-11,15-16,21,27H,4-6,9,12-14,17H2/t21-/m0/s1
InChIKeyRECRZFXYGWTKDF-NRFANRHFSA-N
XLogP2.42
TPSA125.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.10
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide (CID 10257612) is 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide is O=C(CN1CCC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1=O)N1CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide?
The InChIKey is RECRZFXYGWTKDF-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27ClN4O6S2/c26-19-10-11-22-18(15-19)16-24(30(22)38(35,36)20-7-2-1-3-8-20)37(33,34)27-21-9-6-14-29(25(21)32)17-23(31)28-12-4-5-13-28/h1-3,7-8,10-11,15-16,21,27H,4-6,9,12-14,17H2/t21-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide?
1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide has a molecular weight of 579.10 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]indole-2-sulfonamide is sourced from PubChem (CID 10257612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).